(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester hydrochloride IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]isothiourea hydrochloride Formula: C16H16ClFN2O2S MolecularWeight: 354.826843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC(=N)N)F.Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC(=N)N)F.Cl

InChI

InChI=1S/C16H15FN2O2S.ClH/c17-13-6-11-8-20-15(10-4-2-1-3-5-10)21-14(11)12(7-13)9-22-16(18)19;/h1-7,15H,8-9H2,(H3,18,19);1H